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UNKNOWN STEREO
MCULE-2651392266
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
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1
MCULE-6757371476
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2651392266.sdf |
| SMILES | MCULE-2651392266.smiles |
| Standard InChI | MCULE-2651392266.inchi |
| InChIKey | MCULE-2651392266.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869174365 | 95 | As is | unavailable |
| P-888664557 | 95 | As is | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1118.328 |
| logP | 3.58 |
| H-bond acceptors | 22 |
| H-bond donors | 5 |
| Rotatable bonds | 11 |
| PSA | 323.28 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 313.0127 |
| Atoms | 149 |
| Rings | 8 |
| Heavy atoms | 78 |
| Hydrogen atoms | 71 |
| Heteroatoms | 24 |
| N/O atoms | 22 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
